Search Result "free energy computation"


Research Article

Energy Efficient Reliability Aware Workflow Scheduling in Cloud Computing

Journal: International Journal of Sensors, Wireless Communications and Control
Volume: 7 Issue: 3 Year: 2017 Page: 198-210
Author(s): Nidhi Rehani,Ritu Garg

Review Article

A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2577-2585
Author(s): Robert Abel,Lingle Wang,David L. Mobley,Richard A. Friesner

Review Article

Review of Proteinochromism Modeling in Computational Chemistry

Journal: Current Organic Chemistry
Volume: 21 Issue: 10 Year: 2017 Page: 856-871
Author(s): Tobias Schwabe

Research Article

Energy-efficient Scheduling for Leakage Detection in Long-distance Pipeline

Journal: International Journal of Sensors, Wireless Communications and Control
Volume: 7 Issue: 1 Year: 2017 Page: 53-64
Author(s): Samia Allaoua Chelloug

Review Article

Oleuropein: Molecular Dynamics and Computation

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 39 Year: 2017 Page: 4315-4328
Author(s): Luigi Gentile,Nicola A. Uccella,Ganapathy Sivakumar

Elucidating Allosteric Communications in Proteins via Computational Methods

Ebook: Frontiers in Computational Chemistry

Volume: 3 Year: 2017
Author(s): Burak Alakent,Z. Nevin Gerek Ince
Doi: 10.2174/9781681081670117030006
Review Article

Overview on Radiolabel-Free in vitro Assays for GPCRs

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 17 Issue: 1 Year: 2017 Page: 3-14
Author(s): Michela Buccioni,Claudia Santinelli,Piero Angeli,Diego Dal Ben,Catia Lambertucci,Ajiroghene Thomas,Rosaria Volpini,Gabriella Marucci

Research Article

Chitosan-Aflatoxins B1, M1 Interaction: A Computational Approach

Journal: Current Organic Chemistry
Volume: 21 Issue: 2 Year: 2017 Page: 2877-2883
Author(s): L. A. Juarez-Morales,H. Hernandez-Cocoletzi,E. Chigo-Anota,E. Aguila-Almanza,M. G. Tenorio-Arvide

Review Article

Recent Advances of Computational Modeling for Predicting Drug Metabolism: A Perspective

Journal: Current Drug Metabolism
Volume: 18 Issue: 1 Year: 2017 Page: 1106-1122
Author(s): Supratik Kar,Jerzy Leszczynski

Research Article open access plus

A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 14 Year: 2017 Page: 1631-1639
Author(s): Xiaohua Zhang,Horacio Perez-Sanchez,Felice C. Lightstone

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